N-(4-methylcyclohexyl)ethanesulfonamide

C9H19NO2S — CID 22772360

IUPACN-(4-methylcyclohexyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C9H19NO2S/c1-3-13(11,12)10-9-6-4-8(2)5-7-9/h8-10H,3-7H2,1-2H3
InChIKeyDZGKOOILKFXRRE-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.50
Rot. Bonds3

About N-(4-methylcyclohexyl)ethanesulfonamide

N-(4-methylcyclohexyl)ethanesulfonamide (PubChem CID 22772360) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)ethanesulfonamide
PubChem CID22772360
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(4-methylcyclohexyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C9H19NO2S/c1-3-13(11,12)10-9-6-4-8(2)5-7-9/h8-10H,3-7H2,1-2H3
InChIKeyDZGKOOILKFXRRE-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butanesulfonamide, N-cyclohexyl-
CID 47495
Methanesulfonamide, N-(4-(cyclohexylmethyl)-1-cyclohexyl)-
CID 3025226
Trans-(4-(methylamino)cyclohexyl)methanesulfonic acid
CID 130297570
N-(cyclohexylmethyl)methanesulfonamide
CID 19684282
N-(4-amino-4-methylcyclohexyl)cyclopropanesulfonamide hydrochloride
CID 165950070
Rac-[(1s,4s)-4-aminocyclohexyl]methanesulfonyl fluoride hydrochloride
CID 167723013
2-Amino-2-cyclohexylethanesulfonic acid
CID 10798377
3-(3-Aminocyclohexyl)propane-1-sulfonic acid
CID 20365848
3-Amino-3-cyclohexylpropane-1-sulfonic acid
CID 21666758
N-(cyclohexylmethyl)cyclohexanesulfonamide
CID 72138709
1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
CID 72148715
N-(3-ethylcyclohexyl)-3,3-dimethylbutane-1-sulfonamide
CID 91643251

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)ethanesulfonamide?
The IUPAC name of N-(4-methylcyclohexyl)ethanesulfonamide (CID 22772360) is N-(4-methylcyclohexyl)ethanesulfonamide.
What is the SMILES notation for N-(4-methylcyclohexyl)ethanesulfonamide?
The canonical SMILES for N-(4-methylcyclohexyl)ethanesulfonamide is CCS(=O)(=O)NC1CCC(C)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)ethanesulfonamide?
The InChIKey is DZGKOOILKFXRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-3-13(11,12)10-9-6-4-8(2)5-7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(4-methylcyclohexyl)ethanesulfonamide?
N-(4-methylcyclohexyl)ethanesulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)ethanesulfonamide is sourced from PubChem (CID 22772360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).